Electrochemical and QTAIM Evaluation of Anticorrosive Properties of bis(1,4-Isomeric Pyridine Thiosemicarbazides) in Acidic Media
bis(1,4-Isomeric pyridine thiosemicarbazides) (P 2 ) was synthesized and the protection performance of P 2 on the corrosion of AA1005 alloy in acidic solution was evaluated using potentiodynamic polarization and electrochemical impedance spectroscopy. Inhibition efficiency of prepared inhibitor incr...
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| Veröffentlicht in: | Protection of metals and physical chemistry of surfaces 2022-02, Vol.58 (1), p.168-175 |
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| creator | Ehsani, A. Samiee, Z. Kalhor, M. Safari, R. |
| description | bis(1,4-Isomeric pyridine thiosemicarbazides) (P
2
) was synthesized and the protection performance of P
2
on the corrosion of AA1005 alloy in acidic solution was evaluated using potentiodynamic polarization and electrochemical impedance spectroscopy. Inhibition efficiency of prepared inhibitor increases as inhibitor concentration increases. It was shown that the adsorption of P
2
on the surface of the aluminum takes place through both physical and chemical adsorption. Experimental results prove that inhibitor is of mixed type. The best fit to the experimental results was obtained using Langmuir adsorption isotherm. Meanwhile, quantum chemical calculations give evidence to experimental results. Analysis of the QTAIM results shows that the sulfur and oxygen atoms have important roles in local charge and energy transfer in parallel/ perpendicular directions of these molecular systems. All the studied methods are showing good correlation with each other. |
| doi_str_mv | 10.1134/S2070205122010087 |
| format | Article |
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2
) was synthesized and the protection performance of P
2
on the corrosion of AA1005 alloy in acidic solution was evaluated using potentiodynamic polarization and electrochemical impedance spectroscopy. Inhibition efficiency of prepared inhibitor increases as inhibitor concentration increases. It was shown that the adsorption of P
2
on the surface of the aluminum takes place through both physical and chemical adsorption. Experimental results prove that inhibitor is of mixed type. The best fit to the experimental results was obtained using Langmuir adsorption isotherm. Meanwhile, quantum chemical calculations give evidence to experimental results. Analysis of the QTAIM results shows that the sulfur and oxygen atoms have important roles in local charge and energy transfer in parallel/ perpendicular directions of these molecular systems. All the studied methods are showing good correlation with each other.</description><identifier>ISSN: 2070-2051</identifier><identifier>EISSN: 2070-206X</identifier><identifier>DOI: 10.1134/S2070205122010087</identifier><language>eng</language><publisher>Moscow: Pleiades Publishing</publisher><subject>Adsorption ; Aluminum ; Characterization and Evaluation of Materials ; Charge transfer ; Chemistry and Materials Science ; Corrosion and Coatings ; Corrosion prevention ; Electrochemical impedance spectroscopy ; Electrode polarization ; Energy transfer ; Industrial Chemistry/Chemical Engineering ; Inorganic Chemistry ; Materials Science ; Metallic Materials ; Oxygen atoms ; Physicochemical Problems of Materials Protection ; Pyridines ; Quantum chemistry ; Thiosemicarbazides ; Tribology</subject><ispartof>Protection of metals and physical chemistry of surfaces, 2022-02, Vol.58 (1), p.168-175</ispartof><rights>Pleiades Publishing, Ltd. 2022. ISSN 2070-2051, Protection of Metals and Physical Chemistry of Surfaces, 2022, Vol. 58, No. 1, pp. 168–175. © Pleiades Publishing, Ltd., 2022. ISSN 2070-2051, Protection of Metals and Physical Chemistry of Surfaces, 2022. © Pleiades Publishing, Ltd., 2022.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><cites>FETCH-LOGICAL-c268t-716cc3f9947661518dd48ab82537f3d0e6e35a7977ecd61c60ffbe91a354f76e3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1134/S2070205122010087$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://link.springer.com/10.1134/S2070205122010087$$EHTML$$P50$$Gspringer$$H</linktohtml><link.rule.ids>314,776,780,27901,27902,41464,42533,51294</link.rule.ids></links><search><creatorcontrib>Ehsani, A.</creatorcontrib><creatorcontrib>Samiee, Z.</creatorcontrib><creatorcontrib>Kalhor, M.</creatorcontrib><creatorcontrib>Safari, R.</creatorcontrib><title>Electrochemical and QTAIM Evaluation of Anticorrosive Properties of bis(1,4-Isomeric Pyridine Thiosemicarbazides) in Acidic Media</title><title>Protection of metals and physical chemistry of surfaces</title><addtitle>Prot Met Phys Chem Surf</addtitle><description>bis(1,4-Isomeric pyridine thiosemicarbazides) (P
2
) was synthesized and the protection performance of P
2
on the corrosion of AA1005 alloy in acidic solution was evaluated using potentiodynamic polarization and electrochemical impedance spectroscopy. Inhibition efficiency of prepared inhibitor increases as inhibitor concentration increases. It was shown that the adsorption of P
2
on the surface of the aluminum takes place through both physical and chemical adsorption. Experimental results prove that inhibitor is of mixed type. The best fit to the experimental results was obtained using Langmuir adsorption isotherm. Meanwhile, quantum chemical calculations give evidence to experimental results. Analysis of the QTAIM results shows that the sulfur and oxygen atoms have important roles in local charge and energy transfer in parallel/ perpendicular directions of these molecular systems. All the studied methods are showing good correlation with each other.</description><subject>Adsorption</subject><subject>Aluminum</subject><subject>Characterization and Evaluation of Materials</subject><subject>Charge transfer</subject><subject>Chemistry and Materials Science</subject><subject>Corrosion and Coatings</subject><subject>Corrosion prevention</subject><subject>Electrochemical impedance spectroscopy</subject><subject>Electrode polarization</subject><subject>Energy transfer</subject><subject>Industrial Chemistry/Chemical Engineering</subject><subject>Inorganic Chemistry</subject><subject>Materials Science</subject><subject>Metallic Materials</subject><subject>Oxygen atoms</subject><subject>Physicochemical Problems of Materials Protection</subject><subject>Pyridines</subject><subject>Quantum chemistry</subject><subject>Thiosemicarbazides</subject><subject>Tribology</subject><issn>2070-2051</issn><issn>2070-206X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2022</creationdate><recordtype>article</recordtype><recordid>eNp1UM9LwzAULqLgnP4B3gJeFKwmaZO0xzKmDjZUnOCtpMmLy-iamXSDefM_t3OiB_H0Hu_7xfui6JTgK0KS9PqJYoEpZoRSTDDOxF7U255iivnL_s_OyGF0FMIcY85FJnrRx7AG1XqnZrCwStZINho9TovRBA3Xsl7J1roGOYOKprXKee-CXQN68G4JvrUQtlhlwzm5TONRcAvwVqGHjbfaNoCmM-vCl7Ov5LvVEC6QbVChOlihCWgrj6MDI-sAJ9-zHz3fDKeDu3h8fzsaFONYUZ61sSBcqcTkeSo4J4xkWqeZrDLKEmESjYFDwqTIhQClOVEcG1NBTmTCUiM6sB-d7XyX3r2tILTl3K1800WWlDNGEk5w1rHIjqW6T4MHUy69XUi_KQkut02Xf5ruNHSnCR23eQX_6_y_6BOKx3_V</recordid><startdate>20220201</startdate><enddate>20220201</enddate><creator>Ehsani, A.</creator><creator>Samiee, Z.</creator><creator>Kalhor, M.</creator><creator>Safari, R.</creator><general>Pleiades Publishing</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope></search><sort><creationdate>20220201</creationdate><title>Electrochemical and QTAIM Evaluation of Anticorrosive Properties of bis(1,4-Isomeric Pyridine Thiosemicarbazides) in Acidic Media</title><author>Ehsani, A. ; Samiee, Z. ; Kalhor, M. ; Safari, R.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c268t-716cc3f9947661518dd48ab82537f3d0e6e35a7977ecd61c60ffbe91a354f76e3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2022</creationdate><topic>Adsorption</topic><topic>Aluminum</topic><topic>Characterization and Evaluation of Materials</topic><topic>Charge transfer</topic><topic>Chemistry and Materials Science</topic><topic>Corrosion and Coatings</topic><topic>Corrosion prevention</topic><topic>Electrochemical impedance spectroscopy</topic><topic>Electrode polarization</topic><topic>Energy transfer</topic><topic>Industrial Chemistry/Chemical Engineering</topic><topic>Inorganic Chemistry</topic><topic>Materials Science</topic><topic>Metallic Materials</topic><topic>Oxygen atoms</topic><topic>Physicochemical Problems of Materials Protection</topic><topic>Pyridines</topic><topic>Quantum chemistry</topic><topic>Thiosemicarbazides</topic><topic>Tribology</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Ehsani, A.</creatorcontrib><creatorcontrib>Samiee, Z.</creatorcontrib><creatorcontrib>Kalhor, M.</creatorcontrib><creatorcontrib>Safari, R.</creatorcontrib><collection>CrossRef</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><jtitle>Protection of metals and physical chemistry of surfaces</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Ehsani, A.</au><au>Samiee, Z.</au><au>Kalhor, M.</au><au>Safari, R.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Electrochemical and QTAIM Evaluation of Anticorrosive Properties of bis(1,4-Isomeric Pyridine Thiosemicarbazides) in Acidic Media</atitle><jtitle>Protection of metals and physical chemistry of surfaces</jtitle><stitle>Prot Met Phys Chem Surf</stitle><date>2022-02-01</date><risdate>2022</risdate><volume>58</volume><issue>1</issue><spage>168</spage><epage>175</epage><pages>168-175</pages><issn>2070-2051</issn><eissn>2070-206X</eissn><abstract>bis(1,4-Isomeric pyridine thiosemicarbazides) (P
2
) was synthesized and the protection performance of P
2
on the corrosion of AA1005 alloy in acidic solution was evaluated using potentiodynamic polarization and electrochemical impedance spectroscopy. Inhibition efficiency of prepared inhibitor increases as inhibitor concentration increases. It was shown that the adsorption of P
2
on the surface of the aluminum takes place through both physical and chemical adsorption. Experimental results prove that inhibitor is of mixed type. The best fit to the experimental results was obtained using Langmuir adsorption isotherm. Meanwhile, quantum chemical calculations give evidence to experimental results. Analysis of the QTAIM results shows that the sulfur and oxygen atoms have important roles in local charge and energy transfer in parallel/ perpendicular directions of these molecular systems. All the studied methods are showing good correlation with each other.</abstract><cop>Moscow</cop><pub>Pleiades Publishing</pub><doi>10.1134/S2070205122010087</doi><tpages>8</tpages></addata></record> |
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| identifier | ISSN: 2070-2051 |
| ispartof | Protection of metals and physical chemistry of surfaces, 2022-02, Vol.58 (1), p.168-175 |
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| language | eng |
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| source | Springer Nature - Complete Springer Journals |
| subjects | Adsorption Aluminum Characterization and Evaluation of Materials Charge transfer Chemistry and Materials Science Corrosion and Coatings Corrosion prevention Electrochemical impedance spectroscopy Electrode polarization Energy transfer Industrial Chemistry/Chemical Engineering Inorganic Chemistry Materials Science Metallic Materials Oxygen atoms Physicochemical Problems of Materials Protection Pyridines Quantum chemistry Thiosemicarbazides Tribology |
| title | Electrochemical and QTAIM Evaluation of Anticorrosive Properties of bis(1,4-Isomeric Pyridine Thiosemicarbazides) in Acidic Media |
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